SCHEMBL5578809

SCHEMBL5578809

COc1ccc(C(=O)N2CC3(CCN(Cc4ccc(OC)c(OC)c4)CC3)c3cc(F)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CCR3 P51677 1/20 0.47
CYP2D6 P10635 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5579047 0.89 KMT2A (0.44) KMT2AMEN1HDAC1HDAC6POLB
SCHEMBL5578719 0.89 MMP1 (0.49) HDAC1HDAC6CCR3CYP2D6USP2
SCHEMBL5578687 0.84 KMT2A (0.48) KMT2AMEN1HDAC1HDAC6CCR3
SCHEMBL5782895 0.83 HDAC1 (0.47) HDAC1HDAC6CCR3CYP2D6USP2
SCHEMBL5578540 0.83 SLC18A3 (0.46) CYP2D6USP2
SCHEMBL5578446 0.83 CACNA1G (0.49) KMT2AMEN1CCR3POLBKDM4E
SCHEMBL5578593 0.82 KDM2B (0.48)
SCHEMBL5578902 0.82 NQO2 (0.41) HDAC1HDAC6CYP2D6USP2ALDH1A1
SCHEMBL5578451 0.82 KCNH2 (0.46) HDAC1HDAC6CCR3CYP2D6ALDH1A1
SCHEMBL5579355 0.75 ALDH1A1 (0.41) HDAC1HDAC6CYP2D6KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL KMT2A 1940/4885MEN1 882/4885HDAC1 885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.